N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)-3-[[4-(1,1,2,2,2-pentafluoroethyl)triazol-1-yl]methyl]pyrazole-5-carboxamide

C24H20ClF5N8O2 — CID 88881511

About N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)-3-[[4-(1,1,2,2,2-pentafluoroethyl)triazol-1-yl]methyl]pyrazole-5-carboxamide

N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)-3-[[4-(1,1,2,2,2-pentafluoroethyl)triazol-1-yl]methyl]pyrazole-5-carboxamide (PubChem CID 88881511) has the molecular formula C24H20ClF5N8O2 and a molecular weight of 582.92 g/mol. Its IUPAC name is N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)-3-[[4-(1,1,2,2,2-pentafluoroethyl)triazol-1-yl]methyl]pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)-3-[[4-(1,1,2,2,2-pentafluoroethyl)triazol-1-yl]methyl]pyrazole-5-carboxamide
• PubChem CID: 88881511
• Molecular Formula: C24H20ClF5N8O2
• Molecular Weight: 582.92 g/mol
• Exact Mass: 582.13
• IUPAC Name: N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)-3-[[4-(1,1,2,2,2-pentafluoroethyl)triazol-1-yl]methyl]pyrazole-5-carboxamide
• SMILES: CNC(=O)c1cc(Cl)cc(C)c1NC(=O)c1cc(Cn2cc(C(F)(F)C(F)(F)F)nn2)nn1-c1ncccc1C
• InChI: InChI=1S/C24H20ClF5N8O2/c1-12-5-4-6-32-20(12)38-17(22(40)33-19-13(2)7-14(25)8-16(19)21(39)31-3)9-15(35-38)10-37-11-18(34-36-37)23(26,27)24(28,29)30/h4-9,11H,10H2,1-3H3,(H,31,39)(H,33,40)
• InChIKey: QKXPOWWIRVWYSL-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 119.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	582.92
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)-3-[[4-(1,1,2,2,2-pentafluoroethyl)triazol-1-yl]methyl]pyrazole-5-carboxamide?

The IUPAC name of N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)-3-[[4-(1,1,2,2,2-pentafluoroethyl)triazol-1-yl]methyl]pyrazole-5-carboxamide (CID 88881511) is N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)-3-[[4-(1,1,2,2,2-pentafluoroethyl)triazol-1-yl]methyl]pyrazole-5-carboxamide.

What is the SMILES notation for N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)-3-[[4-(1,1,2,2,2-pentafluoroethyl)triazol-1-yl]methyl]pyrazole-5-carboxamide?

The canonical SMILES for N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)-3-[[4-(1,1,2,2,2-pentafluoroethyl)triazol-1-yl]methyl]pyrazole-5-carboxamide is CNC(=O)c1cc(Cl)cc(C)c1NC(=O)c1cc(Cn2cc(C(F)(F)C(F)(F)F)nn2)nn1-c1ncccc1C.

What is the InChIKey of N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)-3-[[4-(1,1,2,2,2-pentafluoroethyl)triazol-1-yl]methyl]pyrazole-5-carboxamide?

The InChIKey is QKXPOWWIRVWYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF5N8O2/c1-12-5-4-6-32-20(12)38-17(22(40)33-19-13(2)7-14(25)8-16(19)21(39)31-3)9-15(35-38)10-37-11-18(34-36-37)23(26,27)24(28,29)30/h4-9,11H,10H2,1-3H3,(H,31,39)(H,33,40).

What are the key properties of N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)-3-[[4-(1,1,2,2,2-pentafluoroethyl)triazol-1-yl]methyl]pyrazole-5-carboxamide?

N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)-3-[[4-(1,1,2,2,2-pentafluoroethyl)triazol-1-yl]methyl]pyrazole-5-carboxamide has a molecular weight of 582.92 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)-3-[[4-(1,1,2,2,2-pentafluoroethyl)triazol-1-yl]methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 88881511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).